N-cyclopropylpyridine-3-sulfonamide

• ChemBase ID: 255343
• Molecular Formular: C8H10N2O2S
• Molecular Mass: 198.2422
• Monoisotopic Mass: 198.04629857
• SMILES: S(=O)(=O)(NC1CC1)c1cnccc1
• Canonical SMILES: O=S(=O)(c1cccnc1)NC1CC1
• InChI: InChI=1S/C8H10N2O2S/c11-13(12,10-7-3-4-7)8-2-1-5-9-6-8/h1-2,5-7,10H,3-4H2
• InChIKey: JHNQZTQRRKLZNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropylpyridine-3-sulfonamide
• IUPAC Traditional name: N-cyclopropylpyridine-3-sulfonamide
• Synonyms: N-cyclopropylpyridine-3-sulfonamide

Database IDs

• MDL Number: MFCD09971543
• PubChem SID: 164311253
• PubChem CID: 25343313

CALCULATED PROPERTIES

• Acid pKa: 9.456913
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.050786987
• LogD (pH = 7.4): 0.047485854
• Log P: 0.050844762
• Molar Refractivity: 48.1669 cm^3
• Polarizability: 19.54283 Å^3
• Polar Surface Area: 59.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.855

Product Information

• Purity: 95%